sodium 6-(2-pyridin-3-ylethyl)-1-benzofuran-2-carboxylate

Systemtic Name: sodium 6-(2-pyridin-3-ylethyl)-1-benzofuran-2-carboxylate Openeye Name: sodium 6-[2-(3-pyridyl)ethyl]benzofuran-2-carboxylate CAS Name: sodium 6-[2-(3-pyridinyl)ethyl]-2-benzofurancarboxylate IUPAC Name: sodium 6-(2-pyridin-3-ylethyl)-1-benzofuran-2-carboxylate Traditional Name: sodium 6-[2-(3-pyridyl)ethyl]coumarilate Formula: C16H12NNaO3 MolecularWeight: 289.26115

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCC2=CC3=C(C=C2)C=C(O3)C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CN=C1)CCC2=CC3=C(C=C2)C=C(O3)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H13NO3.Na/c18-16(19)15-9-13-6-5-11(8-14(13)20-15)3-4-12-2-1-7-17-10-12;/h1-2,5-10H,3-4H2,(H,18,19);/q;+1/p-1